HRID664782

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CCOC(=O)C(CCC1CCCCC1)NC1COc2ccccc2N(CC(=O)OC(C)(C)C)C1=O

HCID23320010

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CN1C(=O)C(NC(CCC2CCCCC2)C(=O)O)COc2ccccc21

HCID178451217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3cc79edee7e4c88b31a24d7ca3f96a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][CH:16]1[CH2:17][O:18][c:19]2[c:20]([cH:32][cH:33][cH:34][cH:35]2)[N:21]([CH2:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[C:22]1=[O:23].[CH3:38][CH2:39][OH:40].[Na+:37].[OH-:36].[OH2:41]>>[O:3]=[C:4]([OH:5])[CH:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][CH:16]1[CH2:17][O:18][c:19]2[c:20]([cH:32][cH:33][cH:34][cH:35]2)[N:21]([CH2:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[C:22]1=[O:23]